2-Hydroxy-5-(trifluoromethoxy)benzaldehyde - ≥98% , CAS No.93249-62-8

CAS: 93249-62-8 Cat. No.: H139455 분자식: CF₃OC₆H₃(OH)CHO 분자량: 206.12 EC 번호: 620-932-7

GRADE & PURITY ≥98%

Synonyms

MFCD00075249 | EN300-7376850 | STL557314 | 2-Hydroxy-5-(trifluoromethoxy)benzaldehyde, 99% | Z1269198918 | SY062251 | DTXSID40361440 | A844486 | AM62568 | 5-(Trifluoromethoxy)salicylaldehyde | BBL103504 | PS-8082 | W16712 | FT-0612552 | 2-Hydroxy-5-(trifl

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

동의어

MFCD00075249 | EN300-7376850 | STL557314 | 2-Hydroxy-5-(trifluoromethoxy)benzaldehyde, 99% | Z1269198918 | SY062251 | DTXSID40361440 | A844486 | AM62568 | 5-(Trifluoromethoxy)salicylaldehyde | BBL103504 | PS-8082 | W16712 | FT-0612552 | 2-Hydroxy-5-(trifl

사양 및 순도

≥98%

보관 조건

Room temperature,Argon charged

배송

Normal

순수함

≥98%

이름과 식별자

• Pubchem Sid: 488191764
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191764
• 정식 스마일: C1=CC(=C(C=C1OC(F)(F)F)C=O)O
• IUPAC Name: 2-hydroxy-5-(trifluoromethoxy)benzaldehyde
• InChIKey: WQUZBERVMUEJTD-UHFFFAOYSA-N
• INCHI: 1S/C8H5F3O3/c9-8(10,11)14-6-1-2-7(13)5(3-6)4-12/h1-4,13H
• 이성체 SMILES: C1=CC(=C(C=C1OC(F)(F)F)C=O)O
• WGK 독일: 3
• 분자량: 206.12
• Reaxy-Rn: 7023825
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7023825&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Phenols
      • Subclass 4-alkoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Phenols
• Subclass: 4-alkoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: 4-alkoxyphenols
• Alternative Parents: Hydroxybenzaldehydes Phenoxy compounds Phenol ethers Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Trihalomethanes Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 4-alkoxyphenol - Hydroxybenzaldehyde - Phenoxy compound - Benzaldehyde - Benzoyl - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Aryl-aldehyde - Monocyclic benzene moiety - Vinylogous acid - Trihalomethane - Halomethane - Organooxygen compound - Organofluoride - Organohalogen compound - Organic oxide - Aldehyde - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as 4-alkoxyphenols. These are phenols that carry an alkoxy group at the 4-position of the benzene ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

화학 및 물리적 특성

• 감도: Air Sensitive
• 발화점(°F): 230 °F
• 발화점(°C): >110 °C
• 끓는점(°C): 82°/60mm
• 녹는점(°C): 31-33℃
• 분자량: 206.120 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 206.019 Da
• Monoisotopic Mass: 206.019 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 204.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1